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	hartrees
Energy at 0K	-1916.261412
Energy at 298.15K	-1916.253636
HF Energy	-1914.803084
Nuclear repulsion energy	532.845841

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A'	3294	3294	6.35	79.24	0.10	0.18
2	A'	1605	1605	4.90	9.39	0.75	0.86
3	A'	1462	1462	20.02	2.69	0.63	0.77
4	A'	1165	1165	12.62	3.84	0.41	0.58
5	A'	923	923	70.03	29.56	0.58	0.73
6	A'	827	827	129.74	3.29	0.14	0.25
7	A'	597	597	23.20	11.69	0.09	0.16
8	A'	416	416	2.27	10.41	0.18	0.30
9	A'	334	334	1.05	4.45	0.74	0.85
10	A'	263	263	0.07	2.96	0.67	0.80
11	A'	166	166	0.74	0.61	0.68	0.81
12	A"	3369	3369	0.00	57.40	0.75	0.86
13	A"	1359	1359	13.74	6.36	0.75	0.86
14	A"	1077	1077	67.02	2.30	0.75	0.86
15	A"	822	822	93.43	11.40	0.75	0.86
16	A"	360	360	0.76	2.58	0.75	0.86
17	A"	267	267	1.31	1.65	0.75	0.86
18	A"	121	121	1.70	1.21	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.275	0.277	0.000
C2	-1.257	0.371	0.000
Cl3	-2.078	-1.202	0.000
Cl4	0.870	1.958	0.000
Cl5	0.870	-0.546	1.450
Cl6	0.870	-0.546	-1.450
H7	-1.567	0.907	0.885
H8	-1.567	0.907	-0.885

	C1	C2	Cl3	Cl4	Cl5	Cl6	H7	H8
C1		1.5340	2.7791	1.7831	1.7705	1.7705	2.1383	2.1383
C2	1.5340		1.7743	2.6533	2.7322	2.7322	1.0804	1.0804
Cl3	2.7791	1.7743		4.3214	3.3503	3.3503	2.3435	2.3435
Cl4	1.7831	2.6533	4.3214		2.8937	2.8937	2.7974	2.7974
Cl5	1.7705	2.7322	3.3503	2.8937		2.9002	2.8932	3.6747
Cl6	1.7705	2.7322	3.3503	2.8937	2.9002		3.6747	2.8932
H7	2.1383	1.0804	2.3435	2.7974	2.8932	3.6747		1.7697
H8	2.1383	1.0804	2.3435	2.7974	3.6747	2.8932	1.7697

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl3	114.090	C1	C2	H7	108.498
C1	C2	H8	108.498	C2	C1	Cl4	105.996
C2	C1	Cl5	111.342	C2	C1	Cl6	111.342
Cl3	C2	H7	107.875	Cl3	C2	H8	107.875
Cl4	C1	Cl5	109.033	Cl4	C1	Cl6	109.033
Cl5	C1	Cl6	109.973	H7	C2	H8	109.972

All results from a given calculation for CH₂ClCCl₃ (1,1,1,2-tetrachloroethane)

using model chemistry: CBS-Q

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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All results from a given calculation for CH2ClCCl3 (1,1,1,2-tetrachloroethane)

using model chemistry: CBS-Q

States and conformations

All results from a given calculation for CH₂ClCCl₃ (1,1,1,2-tetrachloroethane)